4-Chlorobutyronitrile Chemical Properties

Boiling point:

195-197 °C (lit.)

Density 

1.095 g/mL at 20 °C

refractive index 

n20/D 1.442(lit.)

Flash point:

185 °F

storage temp. 

Inert atmosphere,Room Temperature

solubility 

Chloroform, Ethyl Acetate (Slightly)

form 

Liquid

Specific Gravity

1.158

color 

Clear colorless to pale yellow

Water Solubility 

immiscible

BRN 

1633582

InChIKey

ZFCFBWSVQWGOJJ-UHFFFAOYSA-N

CAS DataBase Reference

628-20-6(CAS DataBase Reference)

NIST Chemistry Reference

Butanenitrile, 4-chloro-(628-20-6)

EPA Substance Registry System

4-Chlorobutyronitrile (628-20-6)

Safety Information

Hazard Codes 

T,Xi

Risk Statements 

25-36/37/38

Safety Statements 

45-7-36/37/39

RIDADR 

UN 3276 6.1/PG 3

WGK Germany 

3

RTECS 

ET9020000

Hazard Note 

Irritant

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269095

MSDS

• Language:English Provider:4-Chlorobutyronitrile
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

4-Chlorobutyronitrile Usage And Synthesis

Chemical Properties

Clear Colourless Liquid. 4-Chlorobutyronitrile [628-20-6], 4- chlorobutanenitrile, Cl (CH2 )3CN, Mr 103.55, bp 189 – 191℃ (101.3 kPa), d154 1.0934, n20D 1.4413, is a liquid, miscible with ethanol and diethyl ether; it is immiscible with water.

Uses

4-Chlorobutyronitrile (cas# 628-20-6) is a compound useful in organic synthesis.

Production Methods

4-Chlorobutyronitrile is readily obtained by reacting 1-bromo-3-chloropropane with sodium cyanide. It is used in the synthesis of the pharmaceuticals buflomedil and buspirone. 4-Chlorobutyronitrile also yields cyclopropanecarbonitrile upon cyclization with base.

General Description

A liquid. Flash point 85°F. Density about 9.7 lb / gal and practically insoluble in water (2 parts/100 parts water). Hence sinks in water. Vapors are heavier than air. Irritates the eyes but not to the skin. Releases hydrogen chloride, hydrogen cyanide, and hydrogen bromide gases when heated or involved in a fire.

Air & Water Reactions

Highly flammable. Practically insoluble in water.

Reactivity Profile

4-Chlorobutyronitrile may attack some forms of plastics [USCG, 1999].

Health Hazard

Chemical is moderately toxic. Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes causes irritation. Can penetrate the skin on prolonged contact; only slightly irritating.

Fire Hazard

Special Hazards of Combustion Products: Toxic and irritating hydrogen cyanide, hydrogen bromide, and hydrogen chloride may form in fires.

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